3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid

C10H10ClNO4S — CID 59621215

IUPAC3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClNO4S/c11-7-2-1-6(17-7)8(13)12-10(9(14)15)3-4-16-5-10/h1-2H,3-5H2,(H,12,13)(H,14,15)
InChIKeyXCJBLGPYOUNIII-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.38
Rot. Bonds3

About 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid

3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 59621215) has the molecular formula C10H10ClNO4S and a molecular weight of 275.71 g/mol. Its IUPAC name is 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID59621215
Molecular FormulaC10H10ClNO4S
Molecular Weight275.71 g/mol
Exact Mass275.00
IUPAC Name3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClNO4S/c11-7-2-1-6(17-7)8(13)12-10(9(14)15)3-4-16-5-10/h1-2H,3-5H2,(H,12,13)(H,14,15)
InChIKeyXCJBLGPYOUNIII-UHFFFAOYSA-N
XLogP1.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621148
1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65450610
1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239137
2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate
CID 68781613
3-[3-(5-chlorothiophen-2-yl)prop-2-enoylamino]oxolane-3-carboxylic acid
CID 77058617
3-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxolane-3-carboxylic acid
CID 64890946
N-[4-(bromomethyl)oxan-4-yl]-5-chlorothiophene-2-carboxamide
CID 106300903
3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888056
(3R)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-(3-methylspiro[2,5-dihydro-1H-3-benzazepine-4,1'-cyclopropane]-8-yl)oxolane-3-carboxamide
CID 59621204
3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888611
(3R)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-[(5S)-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxolane-3-carboxamide
CID 59621135
3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925892

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 59621215) is 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is XCJBLGPYOUNIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4S/c11-7-2-1-6(17-7)8(13)12-10(9(14)15)3-4-16-5-10/h1-2H,3-5H2,(H,12,13)(H,14,15).
What are the key properties of 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 275.71 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 59621215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).